3-(1,3-benzodioxol-5-ylmethyl)-1-[(3-fluorophenyl)methyl]-1-(3-imidazol-1-ylpropyl)thiourea

Systemtic Name: 3-(1,3-benzodioxol-5-ylmethyl)-1-[(3-fluorophenyl)methyl]-1-(3-imidazol-1-ylpropyl)thiourea Openeye Name: 3-(1,3-benzodioxol-5-ylmethyl)-1-[(3-fluorophenyl)methyl]-1-(3-imidazol-1-ylpropyl)thiourea CAS Name: 3-(1,3-benzodioxol-5-ylmethyl)-1-[(3-fluorophenyl)methyl]-1-[3-(1-imidazolyl)propyl]thiourea IUPAC Name: 3-(1,3-benzodioxol-5-ylmethyl)-1-[(3-fluorophenyl)methyl]-1-(3-imidazol-1-ylpropyl)thiourea Traditional Name: 1-(3-fluorobenzyl)-1-(3-imidazol-1-ylpropyl)-3-piperonyl-thiourea Formula: C22H23FN4O2S MolecularWeight: 426.507023

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC(=S)N(CCCN3C=CN=C3)CC4=CC(=CC=C4)F

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC(=S)N(CCCN3C=CN=C3)CC4=CC(=CC=C4)F

InChI

InChI=1S/C22H23FN4O2S/c23-19-4-1-3-18(11-19)14-27(9-2-8-26-10-7-24-15-26)22(30)25-13-17-5-6-20-21(12-17)29-16-28-20/h1,3-7,10-12,15H,2,8-9,13-14,16H2,(H,25,30)